CID 3025597

104388-92-3

Structural Information

Molecular Formula
C10H9N3O2S
SMILES
CNC(=O)C(=O)NC1=NC2=CC=CC=C2S1
InChI
InChI=1S/C10H9N3O2S/c1-11-8(14)9(15)13-10-12-6-4-2-3-5-7(6)16-10/h2-5H,1H3,(H,11,14)(H,12,13,15)
InChIKey
QFZUMGOSYSKSOP-UHFFFAOYSA-N
Compound name
N'-(1,3-benzothiazol-2-yl)-N-methyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.04155 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.048826 148.4
[M+Na]+ 258.030768 157.3
[M-H]- 234.034274 152.6
[M+NH4]+ 253.075373 167.9
[M+K]+ 274.004708 154.2
[M+H-H2O]+ 218.038810 141.9
[M+HCOO]- 280.039751 169.1
[M+CH3COO]- 294.055401 190.9
[M+Na-2H]- 256.016216 153.0
[M]+ 235.04100142 151.6
[M]- 235.04209858 151.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.